N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine

C24H27F3N6O2 — CID 59028562

IUPACN-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(CCC(F)(F)F)c1cc(C)nc2c(-c3ccc(-n4cccn4)cc3OC)c(C)nn12
InChIInChI=1S/C24H27F3N6O2/c1-16-14-21(31(12-13-34-3)11-8-24(25,26)27)33-23(29-16)22(17(2)30-33)19-7-6-18(15-20(19)35-4)32-10-5-9-28-32/h5-7,9-10,14-15H,8,11-13H2,1-4H3
InChIKeyCJHUHJHDITUCPR-UHFFFAOYSA-N
MW488.51 g/mol
LogP4.61
Rot. Bonds9

About N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 59028562) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID59028562
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC NameN-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(CCC(F)(F)F)c1cc(C)nc2c(-c3ccc(-n4cccn4)cc3OC)c(C)nn12
InChIInChI=1S/C24H27F3N6O2/c1-16-14-21(31(12-13-34-3)11-8-24(25,26)27)33-23(29-16)22(17(2)30-33)19-7-6-18(15-20(19)35-4)32-10-5-9-28-32/h5-7,9-10,14-15H,8,11-13H2,1-4H3
InChIKeyCJHUHJHDITUCPR-UHFFFAOYSA-N
XLogP4.61
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 59028562) is N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine is COCCN(CCC(F)(F)F)c1cc(C)nc2c(-c3ccc(-n4cccn4)cc3OC)c(C)nn12.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CJHUHJHDITUCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c1-16-14-21(31(12-13-34-3)11-8-24(25,26)27)33-23(29-16)22(17(2)30-33)19-7-6-18(15-20(19)35-4)32-10-5-9-28-32/h5-7,9-10,14-15H,8,11-13H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 488.51 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 59028562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).